7-(5-carboxyheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyl-tridecanedioic acid

Systemtic Name: 7-(5-carboxyheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyl-tridecanedioic acid Openeye Name: 7-(5-carboxyheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyl-tridecanedioic acid CAS Name: 7-(5-carboxyheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyltridecanedioic acid IUPAC Name: 7-(5-carboxyheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyltridecanedioic acid Traditional Name: 7-(5-carboxyheptyl)-2,12-diethyl-7-neopentyl-brassylic acid Formula: C30H56O6 MolecularWeight: 512.76204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(CCCCC(CC)C(=O)O)(CCCCC(CC)C(=O)O)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCC(CCCCC(CCCCC(CC)C(=O)O)(CCCCC(CC)C(=O)O)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C30H56O6/c1-7-23(26(31)32)16-10-13-19-30(22-29(4,5)6,20-14-11-17-24(8-2)27(33)34)21-15-12-18-25(9-3)28(35)36/h23-25H,7-22H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)